Geometry & MOs

Info

ID:	154860
PubChem CID:	56314403
Reduced:	FSN2O4C23H29 (1)
Stoich.:	ABC2D4E23F29 (1)
Weight, g/mol:	412.252606
ΔH_f, kcal/mol:	-175.56
Dipole, Da:	7.11
IP(EA), eV:	-8.86(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylphenoxy)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)OCCCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations